N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide

C6H13N3O2 — CID 103540013

IUPACN'-hydroxy-3-methoxypyrrolidine-1-carboximidamide
SMILESCOC1CCN(C(N)=NO)C1
InChIInChI=1S/C6H13N3O2/c1-11-5-2-3-9(4-5)6(7)8-10/h5,10H,2-4H2,1H3,(H2,7,8)
InChIKeyKRNHSLIVLDNJPK-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.59
Rot. Bonds1

About N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide

N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide (PubChem CID 103540013) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxypyrrolidine-1-carboximidamide
PubChem CID103540013
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN'-hydroxy-3-methoxypyrrolidine-1-carboximidamide
SMILESCOC1CCN(C(N)=NO)C1
InChIInChI=1S/C6H13N3O2/c1-11-5-2-3-9(4-5)6(7)8-10/h5,10H,2-4H2,1H3,(H2,7,8)
InChIKeyKRNHSLIVLDNJPK-UHFFFAOYSA-N
XLogP-0.59
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methoxypyrrolidine-1-carboximidamide
CID 89794542
(3R)-3-methoxypyrrolidine-1-carboximidamide
CID 89794543
N',3-dihydroxypyrrolidine-1-carboximidamide
CID 76981334
3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534592
N'-amino-3-methoxypyrrolidine-1-carboximidamide
CID 103534601
3-Methoxypyrrolidine-1-carboximidamide
CID 103534603
3,4-Dimethoxypyrrolidine-1-carboximidamide
CID 103534615
N'-hydroxy-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103540014
N',3,4-trihydroxypyrrolidine-1-carboximidamide
CID 106674265
(3R,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 129320538
(3S,4R)-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 129414349
(3S,4S)-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 129414411

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide?
The IUPAC name of N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide (CID 103540013) is N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide is COC1CCN(C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide?
The InChIKey is KRNHSLIVLDNJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-11-5-2-3-9(4-5)6(7)8-10/h5,10H,2-4H2,1H3,(H2,7,8).
What are the key properties of N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide?
N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide has a molecular weight of 159.19 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103540013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).